nitro 2-hydroxyacetate

C2H3NO5 — CID 141320086

IUPACnitro 2-hydroxyacetate
SMILESO=C(CO)O[N+](=O)[O-]
InChIInChI=1S/C2H3NO5/c4-1-2(5)8-3(6)7/h4H,1H2
InChIKeySZOBASXULWTZLM-UHFFFAOYSA-N
MW121.05 g/mol
LogP-1.29
Rot. Bonds2

About nitro 2-hydroxyacetate

nitro 2-hydroxyacetate (PubChem CID 141320086) has the molecular formula C2H3NO5 and a molecular weight of 121.05 g/mol. Its IUPAC name is nitro 2-hydroxyacetate.

Molecular Properties

Compound Namenitro 2-hydroxyacetate
PubChem CID141320086
Molecular FormulaC2H3NO5
Molecular Weight121.05 g/mol
Exact Mass121.00
IUPAC Namenitro 2-hydroxyacetate
SMILESO=C(CO)O[N+](=O)[O-]
InChIInChI=1S/C2H3NO5/c4-1-2(5)8-3(6)7/h4H,1H2
InChIKeySZOBASXULWTZLM-UHFFFAOYSA-N
XLogP-1.29
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.05
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

nitro 2-aminoacetate;ruthenium
CID 175369443
5-nitrooxy-5-oxopentanoic acid
CID 57357084
nitro 2-cycloheptylacetate
CID 175609649
4-O-nitro 1-O-prop-2-enyl butanedioate
CID 174474916
nitro carbonofluoridate
CID 149152003
sodium;hydride;nitro octadecanoate
CID 174824151
azane;hydroxy nitrate
CID 173145569
hydroxy nitrate;lanthanum
CID 159833759
phosphanyl 2-hydroxyacetate
CID 58716328
nitro prop-2-enoate
CID 22400648
alumane;amino nitro carbonate;hydrate
CID 175254737
nitro 2-oxo-3-phenylpropanoate
CID 54202175

Frequently Asked Questions

What is the IUPAC name of nitro 2-hydroxyacetate?
The IUPAC name of nitro 2-hydroxyacetate (CID 141320086) is nitro 2-hydroxyacetate.
What is the SMILES notation for nitro 2-hydroxyacetate?
The canonical SMILES for nitro 2-hydroxyacetate is O=C(CO)O[N+](=O)[O-].
What is the InChIKey of nitro 2-hydroxyacetate?
The InChIKey is SZOBASXULWTZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO5/c4-1-2(5)8-3(6)7/h4H,1H2.
What are the key properties of nitro 2-hydroxyacetate?
nitro 2-hydroxyacetate has a molecular weight of 121.05 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitro 2-hydroxyacetate is sourced from PubChem (CID 141320086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).